ChemSpider 2D Image | erythromycin B(1+) | C37H68NO12

erythromycin B(1+)

  • Molecular FormulaC37H68NO12
  • Average mass718.935 Da
  • Monoisotopic mass718.473633 Da
  • ChemSpider ID24890520

  • Charge - Charge

    defined stereocentres - 18 of 18 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-Ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacycl otetradecan-6-yl]oxy}-3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-aminium [ACD/IUPAC Name]
(2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-Ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacycl otetradecan-6-yl]oxy}-3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-aminium [German] [ACD/IUPAC Name]
(2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-Éthyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexaméthyl-2,10-dioxooxacycl otétradécan-6-yl]oxy}-3-hydroxy-N,N,6-triméthyltétrahydro-2H-pyran-4-aminium [French] [ACD/IUPAC Name]
erythromycin B(1+)
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranosyloxy]-3,
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
erythromycin B
erythromycin B cation

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:64279 [DBID]
  • Miscellaneous

    • Chemical Class:

      An erythromycin cation that is the conjugate acid of erythromycin B, arising from protonation of the tertiary amino group on the 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residue; maj or species at pH 7.3. ChEBI CHEBI:64279

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 807.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 442.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 17.93
ACD/KOC (pH 7.4): 168.57
Polar Surface Area: 175 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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